Computational Design and Discovery of Novel Materials II

FOCUS · F47 · ID: 46277

Presentations

  • ORAL

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    Publication: Wang, A., Kingsbury, R., McDermott, M. et al. A framework for quantifying uncertainty in DFT energy corrections. Sci Rep 11, 15496 (2021)

    Presenters

    • Amanda X Wang

      • University of Michigan

    Authors

    • Amanda X Wang

      • University of Michigan

    • Ryan Kingsbury

      • University of California, Berkeley

    • Matthew McDermott

      • University of California, Berkeley

    • Matthew Horton

      • Lawrence Berkeley National Laboratory

    • Anubhav Jain

      • Lawrence Berkeley National Laboratory

    • Shyue Ping Ong

      • University of California, San Diego

    • Shyam Dwaraknath

      • Lawrence Berkeley National Laboratory

    • Kristin Persson

      • Lawrence Berkeley National Laboratory

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  • ORAL

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    Publication: Wenhao Sun, Matt Powell-Palm, 'Generalized Gibbs Phase Rule' Arxiv: 2105.01337 (2021)

    Presenters

    • Wenhao Sun

      • University of Michigan

    Authors

    • Wenhao Sun

      • University of Michigan

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  • ORAL

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    Publication: [1] J. Li, Q. Yao, L. Wu, Z. Hu, B. Gao, X. Wan, Q. Liu, "Designing light-element materials with large effective spin-orbit coupling," https://arxiv.org/abs/2107.06691

    Presenters

    • Jiwoong Kim

      • Rutgers University

    Authors

    • Jiwoong Kim

      • Rutgers University

    • David Vanderbilt

      • Rutgers University
      • Rutgers University, New Brunswick

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  • ORAL · Invited

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    Publication: S. Hajinazar, A. Thorn, E.D. Sandoval, S. Kharabadze, A.N. Kolmogorov, "MAISE: Construction of neural network interatomic models and evolutionary structure optimization", Comput. Phys. Commun. 259, 107679 (2020).

    Presenters

    • Aleksey Kolmogorov

      • Binghamton University
      • Binghamton U.

    Authors

    • Aleksey Kolmogorov

      • Binghamton University
      • Binghamton U.

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  • ORAL

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    Publication: S. Hajinazar, A. Thorn, E.D. Sandoval, S. Kharabadze, A.N. Kolmogorov
    MAISE: Construction of neural network interatomic models and evolutionary structure optimization
    Comput. Phys. Commun. 259, 107679 (2020)

    Presenters

    • Saba Kharabadze

      • Binghamton University

    Authors

    • Saba Kharabadze

      • Binghamton University

    • Aidan Thorn

      • Binghamton University

    • Ernesto D Sandoval

      • Binghamton University

    • Samad Hajinazar

      • Binghamton University

    • Aleksey Kolmogorov

      • Binghamton University
      • Binghamton U.

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  • ORAL

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    Presenters

    • Ming Li

      • University of Florida

    Authors

    • Ming Li

      • University of Florida

    • Stephen R Xie

      • Department of Materials Science and Engineering, University of Florida
      • KBR Inc., Intelligent Systems Division, NASA Ames Research Center
      • University of Florida

    • Ajinkya C Hire

      • Department of Materials Science and Engineering, University of Florida
      • University of Florida

    • Richard G. G Hennig

      • University of Florida
      • Department of Materials Science and Engineering, University of Florida
      • Department of Materials Science and Engineering, University of Florida, Gainesville, Florida 32611, United States

    • Luke Wirth

      • University of Illinois at Urbana-Champaign

    • Dallas Trinkle

      • University of Illinois at Urbana-Champaign

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  • ORAL

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    Presenters

    • Liqiu Yang

      • University of Southern California

    Authors

    • Liqiu Yang

      • University of Southern California

    • Subodh C Tiwari

      • Univ of Southern California

    • Seong S Jo

      • Massachusetts Institute of Technology

    • Sungwook Hong

      • California State University, Bakersfield

    • Ankit Mishra

      • Univ of Southern California

    • Aravind Krishnamoorthy

      • Univ of Southern California
      • University of Southern California

    • Rajiv K Kalia

      • Univ of Southern California

    • Aiichiro Nakano

      • Univ of Southern California

    • Rafael Jaramillo

      • Massachusetts Institute of Technology MIT

    • Priya Vashishta

      • Univ of Southern California
      • University of Southern California

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  • ORAL

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    Presenters

    • Kevin F Garrity

      • National Institute of Standards and Technology
      • National Institute of Standards and Tech
      • NIST

    Authors

    • Kevin F Garrity

      • National Institute of Standards and Technology
      • National Institute of Standards and Tech
      • NIST

    • Kamal Choudhary

      • National Institute of Standards and Tech

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